N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide

C24H23ClFN3O2S — CID 42793156

IUPACN-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H23ClFN3O2S/c1-31-13-12-28(23(30)14-17-2-8-20(26)9-3-17)11-10-21-16-32-24-27-22(15-29(21)24)18-4-6-19(25)7-5-18/h2-9,15-16H,10-14H2,1H3
InChIKeyOXQMRNPYLMPQLV-UHFFFAOYSA-N
MW471.99 g/mol
LogP5.12
Rot. Bonds9

About N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide (PubChem CID 42793156) has the molecular formula C24H23ClFN3O2S and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
PubChem CID42793156
Molecular FormulaC24H23ClFN3O2S
Molecular Weight471.99 g/mol
Exact Mass471.12
IUPAC NameN-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H23ClFN3O2S/c1-31-13-12-28(23(30)14-17-2-8-20(26)9-3-17)11-10-21-16-32-24-27-22(15-29(21)24)18-4-6-19(25)7-5-18/h2-9,15-16H,10-14H2,1H3
InChIKeyOXQMRNPYLMPQLV-UHFFFAOYSA-N
XLogP5.12
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 42793111
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42793114
2,2-dichloro-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)acetamide
CID 42793108
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 7301539
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 42793120
N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 3556870
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7522319
N-(2-methoxyethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-2-phenylmethoxyacetamide
CID 3311523
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 42793057
N-benzyl-N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]tetradecanamide
CID 42793104
N-(2-methoxyethyl)-N-[2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-3-phenylprop-2-enamide
CID 3601788
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 22575952

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide (CID 42793156) is N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide is COCCN(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is OXQMRNPYLMPQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2S/c1-31-13-12-28(23(30)14-17-2-8-20(26)9-3-17)11-10-21-16-32-24-27-22(15-29(21)24)18-4-6-19(25)7-5-18/h2-9,15-16H,10-14H2,1H3.
What are the key properties of N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide?
N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 471.99 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 42793156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).